3-cyclohexyl-1-[2-(1-methyltetrazol-5-yl)morpholin-4-yl]propan-1-one

C15H25N5O2 — CID 157012991

IUPAC3-cyclohexyl-1-[2-(1-methyltetrazol-5-yl)morpholin-4-yl]propan-1-one
SMILESCn1nnnc1C1CN(C(=O)CCC2CCCCC2)CCO1
InChIInChI=1S/C15H25N5O2/c1-19-15(16-17-18-19)13-11-20(9-10-22-13)14(21)8-7-12-5-3-2-4-6-12/h12-13H,2-11H2,1H3
InChIKeyJNTHTKJKQQFHDB-UHFFFAOYSA-N
MW307.40 g/mol
LogP1.47
Rot. Bonds4

About 3-cyclohexyl-1-[2-(1-methyltetrazol-5-yl)morpholin-4-yl]propan-1-one

3-cyclohexyl-1-[2-(1-methyltetrazol-5-yl)morpholin-4-yl]propan-1-one (PubChem CID 157012991) has the molecular formula C15H25N5O2 and a molecular weight of 307.40 g/mol. Its IUPAC name is 3-cyclohexyl-1-[2-(1-methyltetrazol-5-yl)morpholin-4-yl]propan-1-one.

Molecular Properties

Compound Name3-cyclohexyl-1-[2-(1-methyltetrazol-5-yl)morpholin-4-yl]propan-1-one
PubChem CID157012991
Molecular FormulaC15H25N5O2
Molecular Weight307.40 g/mol
Exact Mass307.20
IUPAC Name3-cyclohexyl-1-[2-(1-methyltetrazol-5-yl)morpholin-4-yl]propan-1-one
SMILESCn1nnnc1C1CN(C(=O)CCC2CCCCC2)CCO1
InChIInChI=1S/C15H25N5O2/c1-19-15(16-17-18-19)13-11-20(9-10-22-13)14(21)8-7-12-5-3-2-4-6-12/h12-13H,2-11H2,1H3
InChIKeyJNTHTKJKQQFHDB-UHFFFAOYSA-N
XLogP1.47
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-cyclohexyl-1-[2-(3,5-dichlorophenyl)morpholin-4-yl]propan-1-one
CID 121134464
3-(3-chloro-1,2-oxazol-5-yl)-1-[2-(1-methyltetrazol-5-yl)morpholin-4-yl]propan-1-one;formic acid
CID 166598459
(2R)-4-(3-cyclobutylpropanoyl)morpholine-2-carboxylic acid
CID 129397543
[1-(4-chlorophenyl)cyclobutyl]-[2-(1-methyltetrazol-5-yl)morpholin-4-yl]methanone
CID 157015742
4-(3-cyclopentylpropanoyl)morpholine-2-carbothioamide
CID 79674134
4-(3-cyclopentylpropanoyl)morpholine-2-carbonitrile
CID 78945630
2-methyl-4-[2-(1-methyltetrazol-5-yl)morpholine-4-carbonyl]phthalazin-1-one
CID 165420118
2-methyl-5-[2-(1-methyltetrazol-5-yl)morpholine-4-carbonyl]-1H-pyrimidin-6-one
CID 163309470
2-cyclohexyl-1-[2-(4-methylphenyl)morpholin-4-yl]ethanone
CID 121134744
2-[(2R)-4-(3-cyclopentylpropanoyl)morpholin-2-yl]-N-propan-2-ylquinoline-4-carboxamide
CID 92639075
3-(3,5-dimethylpyrazol-1-yl)-1-[(2R)-2-[1-(2-methoxyethyl)tetrazol-5-yl]morpholin-4-yl]propan-1-one
CID 124750662
CID 43562953
CID 43562953

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-1-[2-(1-methyltetrazol-5-yl)morpholin-4-yl]propan-1-one?
The IUPAC name of 3-cyclohexyl-1-[2-(1-methyltetrazol-5-yl)morpholin-4-yl]propan-1-one (CID 157012991) is 3-cyclohexyl-1-[2-(1-methyltetrazol-5-yl)morpholin-4-yl]propan-1-one.
What is the SMILES notation for 3-cyclohexyl-1-[2-(1-methyltetrazol-5-yl)morpholin-4-yl]propan-1-one?
The canonical SMILES for 3-cyclohexyl-1-[2-(1-methyltetrazol-5-yl)morpholin-4-yl]propan-1-one is Cn1nnnc1C1CN(C(=O)CCC2CCCCC2)CCO1.
What is the InChIKey of 3-cyclohexyl-1-[2-(1-methyltetrazol-5-yl)morpholin-4-yl]propan-1-one?
The InChIKey is JNTHTKJKQQFHDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O2/c1-19-15(16-17-18-19)13-11-20(9-10-22-13)14(21)8-7-12-5-3-2-4-6-12/h12-13H,2-11H2,1H3.
What are the key properties of 3-cyclohexyl-1-[2-(1-methyltetrazol-5-yl)morpholin-4-yl]propan-1-one?
3-cyclohexyl-1-[2-(1-methyltetrazol-5-yl)morpholin-4-yl]propan-1-one has a molecular weight of 307.40 g/mol, XLogP of 1.47, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-1-[2-(1-methyltetrazol-5-yl)morpholin-4-yl]propan-1-one is sourced from PubChem (CID 157012991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).